CID 51818

Benz(c)acridine-7-methanol

Structural Information

Molecular Formula
C18H13NO
SMILES
C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4N=C32)CO
InChI
InChI=1S/C18H13NO/c20-11-16-14-7-3-4-8-17(14)19-18-13-6-2-1-5-12(13)9-10-15(16)18/h1-10,20H,11H2
InChIKey
HEDQVRLHVBZVLF-UHFFFAOYSA-N
Compound name
benzo[c]acridin-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

259.0997 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.106976 156.8
[M+Na]+ 282.088918 167.6
[M-H]- 258.092424 161.0
[M+NH4]+ 277.133523 174.8
[M+K]+ 298.062858 160.6
[M+H-H2O]+ 242.096960 148.4
[M+HCOO]- 304.097901 176.3
[M+CH3COO]- 318.113551 169.1
[M+Na-2H]- 280.074366 167.8
[M]+ 259.09915142 158.4
[M]- 259.10024858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe